1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone

C14H16N4OS — CID 114692152

IUPAC1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H16N4OS/c19-14(8-11-10-20-7-6-15-11)13-9-16-17-18(13)12-4-2-1-3-5-12/h1-5,9,11,15H,6-8,10H2
InChIKeyJHIUHHKWAYALAR-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.55
Rot. Bonds4

About 1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone

1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 114692152) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone
PubChem CID114692152
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone
SMILESO=C(CC1CSCCN1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H16N4OS/c19-14(8-11-10-20-7-6-15-11)13-9-16-17-18(13)12-4-2-1-3-5-12/h1-5,9,11,15H,6-8,10H2
InChIKeyJHIUHHKWAYALAR-UHFFFAOYSA-N
XLogP1.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-phenylpyrazol-3-yl)-2-thiomorpholin-3-ylethanone
CID 107331683
1-quinolin-3-yl-2-thiomorpholin-3-ylethanone
CID 116586477
1-(furan-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586671
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941711
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940587
phenyl-(3-phenyltriazol-4-yl)methanone
CID 23266578
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
2-tert-butylsulfanyl-1-(3-phenyltriazol-4-yl)ethanone
CID 114685856
2-(2-methylphenyl)-1-(3-phenyltriazol-4-yl)ethanone
CID 114685688
(3-phenyltriazol-4-yl)-(thiolan-2-yl)methanone
CID 114686100
5-phenyl-1-thiomorpholin-3-ylpentan-2-one
CID 116586489
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone (CID 114692152) is 1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone is O=C(CC1CSCCN1)c1cnnn1-c1ccccc1.
What is the InChIKey of 1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is JHIUHHKWAYALAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c19-14(8-11-10-20-7-6-15-11)13-9-16-17-18(13)12-4-2-1-3-5-12/h1-5,9,11,15H,6-8,10H2.
What are the key properties of 1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone?
1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 288.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyltriazol-4-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 114692152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).